(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene

C22H24 — CID 171404171

IUPAC(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
SMILESc1ccc2c(c1)CC1CCCCC[C@@H]3Cc4ccccc4C213
InChIInChI=1S/C22H24/c1-2-10-18-14-16-8-4-6-12-20(16)22(18)19(11-3-1)15-17-9-5-7-13-21(17)22/h4-9,12-13,18-19H,1-3,10-11,14-15H2/t18-,19?,22?/m1/s1
InChIKeyZYQBRYGOKJZEBO-FLPIEVNYSA-N
MW288.43 g/mol
LogP5.28
Rot. Bonds

About (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene

(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene (PubChem CID 171404171) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene.

Molecular Properties

Compound Name(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
PubChem CID171404171
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Name(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
SMILESc1ccc2c(c1)CC1CCCCC[C@@H]3Cc4ccccc4C213
InChIInChI=1S/C22H24/c1-2-10-18-14-16-8-4-6-12-20(16)22(18)19(11-3-1)15-17-9-5-7-13-21(17)22/h4-9,12-13,18-19H,1-3,10-11,14-15H2/t18-,19?,22?/m1/s1
InChIKeyZYQBRYGOKJZEBO-FLPIEVNYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene?
The IUPAC name of (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene (CID 171404171) is (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene.
What is the SMILES notation for (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene?
The canonical SMILES for (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene is c1ccc2c(c1)CC1CCCCC[C@@H]3Cc4ccccc4C213.
What is the InChIKey of (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene?
The InChIKey is ZYQBRYGOKJZEBO-FLPIEVNYSA-N. The full InChI is InChI=1S/C22H24/c1-2-10-18-14-16-8-4-6-12-20(16)22(18)19(11-3-1)15-17-9-5-7-13-21(17)22/h4-9,12-13,18-19H,1-3,10-11,14-15H2/t18-,19?,22?/m1/s1.
What are the key properties of (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene?
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene has a molecular weight of 288.43 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene is sourced from PubChem (CID 171404171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).